6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C15H19N3O — CID 47008628

IUPAC6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCCCC3)cc(=O)n12
InChIInChI=1S/C15H19N3O/c1-12-6-5-7-14-16-13(10-15(19)18(12)14)11-17-8-3-2-4-9-17/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyCGDXGCLSZDAQES-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.99
Rot. Bonds2

About 6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47008628) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID47008628
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCCCC3)cc(=O)n12
InChIInChI=1S/C15H19N3O/c1-12-6-5-7-14-16-13(10-15(19)18(12)14)11-17-8-3-2-4-9-17/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyCGDXGCLSZDAQES-UHFFFAOYSA-N
XLogP1.99
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 47008628) is 6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN3CCCCC3)cc(=O)n12.
What is the InChIKey of 6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CGDXGCLSZDAQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-6-5-7-14-16-13(10-15(19)18(12)14)11-17-8-3-2-4-9-17/h5-7,10H,2-4,8-9,11H2,1H3.
What are the key properties of 6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 257.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47008628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).